SCHEMBL29915468

SCHEMBL29915468

CCOP(=O)(Cc1cc(-c2cccc(C#N)c2)nn1Cc1ccc(OC)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 2/20 0.41
MET P08581 4/20 0.40
NQO2 P16083 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACP1 P24666 1/20 0.38
USP2 O75604 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
ADORA2A P29274 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20600251 0.88 PTGDR (0.44) PTGDRCLK4DYRK1AMAPTMET
SCHEMBL29915324 0.87 MAPT (0.43) MAPTSMN1; SMN2MAPK1MEN1HTT
SCHEMBL29915417 0.86 SLC16A3 (0.43) PTGDRCLK4DYRK1AMAPTALDH1A1
SCHEMBL29915423 0.85 MAPT (0.46) MAPTSMN1; SMN2ADORA2AMEN1HTT
SCHEMBL29915381 0.84 MAPT (0.41) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL22613626 0.83 PTGDR (0.48) PTGDRCLK4DYRK1AMAPTMET
SCHEMBL22613713 0.83 PTGDR (0.48) PTGDRCLK4DYRK1AMAPTMET
SCHEMBL29915535 0.81 MAPT (0.41) MAPTMETSMN1; SMN2GRIN1GRIN2B
SCHEMBL29915488 0.80 MAPT (0.42) MAPTSMN1; SMN2LMNAADORA2AMEN1
SCHEMBL20600028 0.78 MAPT (0.69) PTGDRMAPTALDH1A1SMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 PTGDR 124/4885CLK4 4340/4885DYRK1A 3437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.